2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide

C19H18FN3O — CID 53148482

IUPAC2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCc1cccc(-c2[nH]ncc2CNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C19H18FN3O/c1-13-5-4-7-15(9-13)19-16(12-22-23-19)11-21-18(24)10-14-6-2-3-8-17(14)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyKNSJTJYJTNDKDD-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide

2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 53148482) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID53148482
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCc1cccc(-c2[nH]ncc2CNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C19H18FN3O/c1-13-5-4-7-15(9-13)19-16(12-22-23-19)11-21-18(24)10-14-6-2-3-8-17(14)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyKNSJTJYJTNDKDD-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide (CID 53148482) is 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide is Cc1cccc(-c2[nH]ncc2CNC(=O)Cc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is KNSJTJYJTNDKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-5-4-7-15(9-13)19-16(12-22-23-19)11-21-18(24)10-14-6-2-3-8-17(14)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53148482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).